10-benzyl-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1577 |
| Compound Name: | 10-benzyl-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C31 H29 N3 O3 S |
| Smiles: | CCN(CCNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5018 |
| logD: | 4.5011 |
| logSw: | -4.2355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.029 |
| InChI Key: | MHYSVNTWNGODDW-UHFFFAOYSA-N |